Information card for entry 2003487

Structure parameters

• Formula: C40 H44 N12 Ni
• Calculated formula: C40 H40 N12 Ni
• Title of publication: The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~
• Authors of publication: Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 873 - 876
• a: 8.186 ± 0.001 Å
• b: 11.107 ± 0.001 Å
• c: 11.515 ± 0.002 Å
• α: 80.28 ± 0.01°
• β: 76.36 ± 0.03°
• γ: 68.73 ± 0.01°
• Cell volume: 944.1 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No